- InChI
- InChI=1S/C14H20O3/c1-3-4-5-8-11-17-14(15)12-9-6-7-10-13(12)16-2/h6-7,9-10H,3-5,8,11H2,1-2H3
- InChI Key
- UMXZQFHEWNEFNM-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- CCCCCCOC(=O)c1ccccc1OC
- Molecular Weight1
- 236.31
- CAS
- 71605-88-4
- Other Names
-
- o-Methoxybenzoic acid, hexyl ester
- hexyl o-anisate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7511 | Relay (... Calculated Property | |
| ΔfG° | -169.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.73 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.68 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -4.32 | Relay (... Calculated Property | |
| logPoct/wat | 3.432 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 2034.55 | kPa | Joback Calculated Property |
| Inp | [1788.10; 1788.10] |
|
|
| Inp | 1788.10 | NIST | |
| Inp | 1788.10 | NIST | |
| Tboil | 584.62 | K | Relay (... Calculated Property |
| Tc | 772.84 | K | Relay (... Calculated Property |
| Tfus | 262.79 | K | Relay (... Calculated Property |
| Vc | 0.739 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.01; 603.27] | J/mol×K | [650.09; 849.38] |
|
| Cp,gas | 521.01 | J/mol×K | 650.09 | Joback Calculated Property |
| Cp,gas | 536.82 | J/mol×K | 683.31 | Joback Calculated Property |
| Cp,gas | 551.77 | J/mol×K | 716.52 | Joback Calculated Property |
| Cp,gas | 565.89 | J/mol×K | 749.74 | Joback Calculated Property |
| Cp,gas | 579.17 | J/mol×K | 782.95 | Joback Calculated Property |
| Cp,gas | 591.63 | J/mol×K | 816.17 | Joback Calculated Property |
| Cp,gas | 603.27 | J/mol×K | 849.38 | Joback Calculated Property |
| η | [0.0001181; 0.0011604] | Pa×s | [380.87; 650.09] |
|
| η | 0.0011604 | Pa×s | 380.87 | Joback Calculated Property |
| η | 0.0006488 | Pa×s | 425.74 | Joback Calculated Property |
| η | 0.0004053 | Pa×s | 470.61 | Joback Calculated Property |
| η | 0.0002748 | Pa×s | 515.48 | Joback Calculated Property |
| η | 0.0001982 | Pa×s | 560.35 | Joback Calculated Property |
| η | 0.0001501 | Pa×s | 605.22 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 650.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-methoxy-, hexyl ester.
Sources
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